! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
O   -4.4318524867   0.8713503904   0.4866768885
O   -1.3512932036  -0.6917196673  -0.2833689908
N   -2.0683010919   1.4842641069  -0.6607150806
N   -2.0728026423   1.4207355530  -1.9926911975
N   -1.9243837958   3.5468184067  -1.3044283829
C   -4.0041158751  -1.5275004046   0.7905751847
C   -3.6769684112  -0.2232767863   0.0182902473
C   -2.2354241762   0.2892083534   0.1445538989
C   -3.4647972725  -2.7590467822   0.0568888489
C   -3.4656409839  -1.4902611529   2.2204166368
C   -5.5315537063  -1.6632908392   0.8405845799
C   -0.0117434817  -0.5372708431  -0.1116036575
C   -1.9888917579   2.7561546536  -0.2626294784
C    0.5839372093   0.4720169812   0.6343058321
C    0.7859842149  -1.4935012498  -0.7336350621
C   -1.9774553485   2.6784882184  -2.3352228533
C    2.7832206001  -0.4166281569   0.1123800249
C    1.9674666347   0.5237268449   0.7342204664
C    2.1613033968  -1.4332471892  -0.6160752471
C    4.2537997616  -0.3338466879   0.2067830878
C    5.0286495568  -1.4820688933   0.3798300162
C    4.9036988829   0.8984210949   0.1153308939
C    6.4111517847  -1.4002765976   0.4575154262
C    6.2859895662   0.9800769731   0.1920244279
C    7.0459855525  -0.1691567630   0.3625834325
H   -3.8765440486  -0.4046968686  -1.0472809307
H   -2.0527180525   0.5900338660   1.1828487085
H   -2.3799876039  -2.8328817552   0.0769594637
H   -3.8570280640  -3.6666052035   0.5206106582
H   -3.7806119208  -2.7707692786  -0.9895042198
H   -2.3743413596  -1.5123140736   2.2588202641
H   -3.8142514187  -2.3612860994   2.7794021763
H   -3.8051792247  -0.6046802228   2.7616440831
H   -5.8048857694  -2.6260462758   1.2763203898
H   -5.9785081955  -1.6276087383  -0.1573060597
H   -6.0032424797  -0.8928218582   1.4514386212
H   -5.2948154871   0.8610074427   0.0638300841
H   -1.9792590376   3.0517094357   0.7750122778
H    0.0085807746   1.2232763502   1.1563840768
H    0.3244025056  -2.2782506004  -1.3198128754
H   -1.9419772950   2.9849865208  -3.3691730839
H    2.4085279485   1.3136909168   1.3291623567
H    2.7594696687  -2.1778265656  -1.1263952415
H    4.5479699335  -2.4483086496   0.4742260307
H    4.3264091853   1.8014177046  -0.0418808749
H    6.9934707526  -2.3017586981   0.5991375863
H    6.7703275272   1.9445671831   0.1079731190
H    8.1249174730  -0.1058829523   0.4203863556
*